SCHEMBL859243

SCHEMBL859243

Cc1c(OCCCCO)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.48
WDR5 P61964 3/20 0.48
ENGASE Q8NFI3 3/20 0.48
MAPT P10636 3/20 0.48
DDAH1 O94760 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
HPGD P15428 2/20 0.48
TBXA2R P21731 2/20 0.48
NPY1R P25929 2/20 0.48
ADORA1 P30542 2/20 0.48
OPRM1 P35372 2/20 0.48
HTR3A P46098 2/20 0.48
FASN P49327 2/20 0.48
SARM1 Q6SZW1 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
HTR1A P08908 1/20 0.48
IDE P14735 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6582664 0.98 KMT2A (0.49) CYP2C9KMT2ALMNAWDR5ENGASE
SCHEMBL8503283 0.94 LMNA (0.47) CYP2C9KMT2ALMNAWDR5ENGASE
SCHEMBL8503846 0.91 KMT2A (0.58) CYP2C9KMT2ALMNAWDR5ENGASE
SCHEMBL2983762 0.91 CYP2C9 (0.48) CYP2C9KMT2ALMNAWDR5ENGASE
SCHEMBL2995801 0.90 CYP2C9 (0.48) CYP2C9KMT2ALMNAWDR5ENGASE
SCHEMBL2984374 0.90 CYP2C9 (0.48) CYP2C9KMT2ALMNAWDR5ENGASE
SCHEMBL15797364 0.90 KMT2A (0.49) CYP2C9KMT2ALMNAWDR5ENGASE
SCHEMBL13361069 0.90 KMT2A (0.47) CYP2C9KMT2ALMNAWDR5ENGASE
SCHEMBL13360944 0.90 KMT2A (0.47) CYP2C9KMT2ALMNAWDR5ENGASE
Lansoprazole SCHEMBL14482089 0.90 CYP2C9 (0.57) CYP2C9KMT2ALMNAWDR5ENGASE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143409-B2 X ray powder diffraction peaks at 10.5, 18.0, 18.4, 19.4, 21.1, 21.7, 22.9, 23.3, 27.1 and 31.6; easy handling and storage; bioavailability, release times, solubility DIPHARMA FRANCIS S.R.L. (IT) 2012-03-27 US disclosed
US-8143409-B2 X ray powder diffraction peaks at 10.5, 18.0, 18.4, 19.4, 21.1, 21.7, 22.9, 23.3, 27.1 and 31.6; easy handling and storage; bioavailability, release times, solubility DIPHARMA FRANCIS S.R.L. (IT) 2012-03-27 US disclosed
US-20080161359-A1 CRYSTALLINE FORM OF RABEPRAZOLE SODIUM DIPHARMA FRANCIS S.R.L. (IT) 2008-07-03 US disclosed
US-20080161359-A1 CRYSTALLINE FORM OF RABEPRAZOLE SODIUM DIPHARMA FRANCIS S.R.L. (IT) 2008-07-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161359-A1 CRYSTALLINE FORM OF RABEPRAZOLE SODIUM RAB35, RAB29, RABL3 CYP2C9 54/4885KMT2A 3839/4885LMNA 3497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.